==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-MAR-03 1OWO . COMPND 2 MOLECULE: DEOXYRIBODIPYRIMIDINE PHOTOLYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR H.KOMORI,S.ADACHI,K.MIKI,A.EKER,R.KORT . 474 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 1 2 2 2 1 2 1 0 3 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A 0 0 89 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.1 19.1 -8.7 62.5 2 3 A A + 0 0 46 90,-0.1 27,-0.3 91,-0.1 2,-0.2 -0.718 360.0 172.8-119.7 78.3 21.6 -7.7 59.8 3 4 A P - 0 0 0 0, 0.0 90,-2.1 0, 0.0 91,-0.8 -0.551 22.8-141.1 -86.7 152.2 23.2 -4.4 60.8 4 5 A I E -ab 30 94A 0 25,-2.4 27,-2.5 -2,-0.2 2,-0.4 -0.938 11.1-146.5-112.8 134.6 26.0 -2.7 59.0 5 6 A L E -ab 31 95A 0 89,-2.6 91,-3.5 -2,-0.4 2,-0.6 -0.851 5.2-158.8-101.2 132.7 28.8 -1.0 61.0 6 7 A F E -ab 32 96A 0 25,-2.3 27,-1.7 -2,-0.4 2,-0.7 -0.963 10.9-149.2-112.4 119.4 30.5 2.1 59.5 7 8 A W E -ab 33 97A 4 89,-3.6 91,-0.5 -2,-0.6 2,-0.3 -0.779 10.3-158.1 -93.7 111.8 33.9 2.7 61.0 8 9 A H E +a 34 0A 0 25,-2.9 27,-0.5 -2,-0.7 4,-0.1 -0.659 30.7 143.4 -87.4 142.0 34.8 6.4 61.2 9 10 A R S S- 0 0 23 -2,-0.3 -1,-0.1 25,-0.1 3,-0.1 0.403 83.7 -1.9-139.3 -64.7 38.4 7.5 61.4 10 11 A R S S+ 0 0 58 88,-0.2 -2,-0.1 1,-0.1 240,-0.0 -0.052 118.0 76.9-127.3 33.9 39.2 10.7 59.4 11 12 A D + 0 0 4 239,-0.1 2,-2.3 238,-0.1 238,-0.3 -0.433 55.4 170.2-138.6 55.0 35.8 11.2 57.9 12 13 A L + 0 0 1 236,-2.6 2,-0.3 -3,-0.1 197,-0.2 -0.397 46.6 81.8 -75.3 69.0 33.9 12.7 60.9 13 14 A R - 0 0 3 -2,-2.3 238,-0.1 195,-0.1 237,-0.1 -0.968 66.8-140.4-161.0 162.5 30.7 13.7 59.1 14 15 A L S S+ 0 0 3 -2,-0.3 3,-0.4 236,-0.1 2,-0.1 0.671 80.0 80.2-102.6 -23.5 27.5 12.2 57.9 15 16 A S S S+ 0 0 6 1,-0.2 150,-0.1 151,-0.2 151,-0.1 -0.442 99.3 2.1 -86.0 158.4 27.3 14.2 54.6 16 17 A D S S+ 0 0 1 148,-0.9 2,-0.5 1,-0.2 238,-0.3 0.835 83.4 150.8 31.6 62.0 29.2 13.5 51.3 17 18 A N > - 0 0 1 148,-0.4 4,-2.8 -3,-0.4 5,-0.3 -0.947 35.8-157.7-124.3 106.4 30.8 10.3 52.7 18 19 A I H > S+ 0 0 42 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.908 91.4 39.8 -47.9 -59.6 31.6 7.6 50.1 19 20 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 116.8 50.6 -62.7 -38.5 31.7 4.6 52.4 20 21 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 110.6 48.5 -67.5 -41.0 28.8 5.7 54.5 21 22 A A H X S+ 0 0 22 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.879 111.5 50.1 -66.7 -38.5 26.6 6.3 51.5 22 23 A A H < S+ 0 0 33 -4,-2.0 4,-0.4 -5,-0.3 3,-0.3 0.896 110.3 51.4 -65.9 -38.7 27.5 2.9 50.0 23 24 A A H >X S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-1.2 0.897 106.7 53.1 -64.6 -41.2 26.7 1.3 53.4 24 25 A R H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.734 100.8 60.4 -67.4 -24.0 23.2 3.0 53.5 25 26 A A T 3< S+ 0 0 82 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.612 109.9 44.0 -78.2 -10.5 22.3 1.7 50.1 26 27 A Q T <4 S+ 0 0 113 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.660 127.8 1.1-103.5 -23.9 22.8 -1.8 51.6 27 28 A S < - 0 0 20 -4,-1.2 -1,-0.3 1,-0.1 -23,-0.0 -0.938 41.7-148.7-168.1 144.6 21.0 -1.3 54.9 28 29 A A S S+ 0 0 30 -2,-0.3 143,-2.4 1,-0.2 2,-2.2 0.664 90.2 82.4 -85.0 -21.8 19.0 1.2 57.0 29 30 A Q + 0 0 23 -27,-0.3 -25,-2.4 141,-0.2 2,-0.7 -0.499 65.8 159.2 -83.7 67.9 20.3 -0.4 60.2 30 31 A L E -a 4 0A 0 -2,-2.2 2,-0.6 -27,-0.2 41,-0.3 -0.858 19.6-173.4 -99.7 113.6 23.5 1.6 59.8 31 32 A I E -a 5 0A 0 -27,-2.5 -25,-2.3 -2,-0.7 41,-0.2 -0.932 12.3-146.6-111.9 121.3 25.4 2.0 63.1 32 33 A G E -ac 6 72A 0 39,-1.7 41,-2.7 -2,-0.6 2,-0.3 -0.382 17.6-172.2 -80.3 162.5 28.4 4.3 63.1 33 34 A L E -ac 7 73A 0 -27,-1.7 -25,-2.9 39,-0.2 2,-0.4 -0.992 15.5-167.0-155.8 149.3 31.5 3.7 65.3 34 35 A F E -ac 8 74A 16 39,-2.1 41,-2.4 -2,-0.3 2,-0.6 -0.997 12.6-151.1-138.2 133.6 34.7 5.3 66.4 35 36 A C E - c 0 75A 10 -27,-0.5 2,-1.3 -2,-0.4 41,-0.2 -0.925 11.1-142.5-112.5 119.3 37.6 3.6 68.1 36 37 A L E - c 0 76A 5 39,-4.0 41,-1.8 -2,-0.6 3,-0.0 -0.656 27.3-157.9 -76.9 96.5 39.9 5.5 70.4 37 38 A D >> - 0 0 6 -2,-1.3 4,-2.5 39,-0.2 3,-2.4 -0.716 13.1-151.5 -86.2 111.7 43.1 3.7 69.4 38 39 A P H 3> S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.770 95.2 61.9 -51.1 -33.1 45.9 4.0 72.1 39 40 A Q H 34 S+ 0 0 123 2,-0.2 39,-0.0 1,-0.2 -2,-0.0 0.727 115.0 35.0 -68.3 -19.0 48.6 3.7 69.5 40 41 A I H X4 S+ 0 0 51 -3,-2.4 3,-0.8 2,-0.1 -1,-0.2 0.859 121.7 43.5 -96.4 -52.5 47.3 7.0 68.1 41 42 A L H 3< S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 5,-0.1 0.877 117.1 44.3 -62.6 -41.3 46.1 8.8 71.2 42 43 A Q T 3< S+ 0 0 165 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.1 0.473 84.7 123.8 -85.9 -1.5 49.2 8.0 73.4 43 44 A S X - 0 0 52 -3,-0.8 3,-1.5 -5,-0.2 -3,-0.1 -0.257 67.5-131.9 -60.1 143.5 51.7 8.8 70.7 44 45 A A T 3 S+ 0 0 76 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.682 107.7 63.1 -68.5 -15.0 54.3 11.4 71.5 45 46 A D T 3 S+ 0 0 55 -5,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.168 75.8 115.0 -95.6 16.9 53.5 12.9 68.1 46 47 A M < - 0 0 24 -3,-1.5 329,-0.1 -5,-0.1 3,-0.0 -0.765 59.8-140.3 -90.0 129.6 49.8 13.7 69.1 47 48 A A >> - 0 0 0 -2,-0.5 4,-2.0 327,-0.3 3,-0.6 -0.754 6.8-141.3 -92.4 131.8 49.0 17.4 69.2 48 49 A P H 3> S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.867 105.0 55.2 -56.2 -36.4 46.7 18.6 72.0 49 50 A A H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.851 106.7 51.0 -65.6 -33.8 45.0 21.0 69.4 50 51 A R H <> S+ 0 0 14 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.879 109.0 49.3 -72.3 -38.6 44.2 18.0 67.2 51 52 A V H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.884 111.1 51.2 -67.8 -36.9 42.7 16.0 70.0 52 53 A A H X S+ 0 0 9 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.927 113.9 42.9 -65.1 -45.6 40.5 19.0 71.0 53 54 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.948 115.6 49.9 -64.1 -49.9 39.3 19.4 67.4 54 55 A L H X S+ 0 0 15 -4,-2.9 4,-2.2 1,-0.2 3,-0.2 0.950 110.2 49.0 -51.3 -57.1 38.8 15.7 67.0 55 56 A Q H X S+ 0 0 23 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.868 111.2 51.7 -54.0 -38.9 36.9 15.4 70.2 56 57 A G H X S+ 0 0 13 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.876 107.8 50.5 -68.3 -38.3 34.7 18.3 69.1 57 58 A C H X S+ 0 0 1 -4,-2.3 4,-2.1 -3,-0.2 152,-0.3 0.880 110.1 51.8 -65.9 -37.3 33.9 16.7 65.7 58 59 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.864 102.4 58.3 -66.8 -39.5 32.9 13.5 67.5 59 60 A Q H X S+ 0 0 104 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.927 111.3 42.6 -56.9 -44.8 30.5 15.3 69.8 60 61 A E H X S+ 0 0 35 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.906 110.1 56.1 -69.4 -40.3 28.7 16.6 66.8 61 62 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.829 102.1 57.2 -61.0 -33.2 28.8 13.2 65.0 62 63 A Q H X S+ 0 0 63 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.929 110.2 45.2 -61.8 -44.2 27.1 11.6 68.0 63 64 A Q H X S+ 0 0 117 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.907 108.6 55.1 -64.6 -45.7 24.3 14.0 67.5 64 65 A R H X S+ 0 0 62 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 110.0 46.2 -56.9 -42.9 24.1 13.6 63.8 65 66 A Y H X>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 4,-1.6 0.894 111.5 52.4 -67.3 -38.7 23.7 9.8 64.1 66 67 A Q H <5S+ 0 0 129 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.944 112.9 44.4 -60.9 -48.0 21.1 10.3 66.9 67 68 A Q H <5S+ 0 0 133 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.5 57.0 -64.9 -36.0 19.1 12.7 64.6 68 69 A A H <5S- 0 0 16 -4,-2.2 102,-2.5 -5,-0.2 101,-0.3 0.793 125.7 -94.7 -67.7 -29.4 19.5 10.3 61.6 69 70 A G T <5S+ 0 0 29 -4,-1.6 103,-0.6 -3,-0.4 -3,-0.2 0.348 96.2 44.7 133.0 -8.7 17.9 7.4 63.5 70 71 A S S > - 0 0 49 -2,-0.3 4,-3.0 -41,-0.1 3,-1.1 -0.626 51.7-148.5 -79.6 122.0 43.1 -2.1 69.8 79 80 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.881 92.4 54.9 -56.3 -48.2 41.1 -2.0 66.5 80 81 A Q H 34 S+ 0 0 67 1,-0.2 -2,-0.0 2,-0.2 29,-0.0 0.584 119.4 36.2 -69.0 -6.0 41.9 -5.4 65.0 81 82 A H H <> S+ 0 0 107 -3,-1.1 4,-1.6 3,-0.1 -1,-0.2 0.774 122.3 40.1-105.8 -52.1 40.7 -7.0 68.2 82 83 A L H X S+ 0 0 29 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.867 111.7 52.8 -69.9 -40.0 37.7 -4.7 69.2 83 84 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.948 112.2 44.1 -64.5 -48.2 36.2 -4.1 65.8 84 85 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.926 114.6 50.6 -62.0 -41.6 35.9 -7.8 64.8 85 86 A Q H X S+ 0 0 84 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.906 112.1 47.0 -60.4 -44.0 34.6 -8.7 68.3 86 87 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.932 113.0 48.1 -64.2 -47.3 32.0 -6.0 68.1 87 88 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 -2,-0.2 0.904 114.1 47.8 -61.4 -40.6 30.9 -7.0 64.6 88 89 A Q H ><5S+ 0 0 110 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.963 109.8 50.4 -64.5 -52.8 30.7 -10.6 65.7 89 90 A Q H 3<5S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 117.1 43.4 -56.7 -22.0 28.7 -9.9 68.8 90 91 A L T 3<5S- 0 0 6 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.373 106.3-129.5-103.9 0.9 26.4 -7.9 66.6 91 92 A Q T < 5 - 0 0 148 -3,-2.2 -3,-0.2 -4,-0.2 2,-0.2 0.953 37.7-158.6 44.9 55.8 26.3 -10.5 63.8 92 93 A A < - 0 0 6 -5,-2.8 30,-0.2 1,-0.1 -88,-0.2 -0.459 25.2-147.4 -71.3 132.8 27.1 -7.7 61.4 93 94 A E S S- 0 0 66 -90,-2.1 29,-0.7 1,-0.3 2,-0.3 0.750 80.4 -24.3 -67.5 -24.3 26.3 -8.1 57.8 94 95 A A E -bd 4 122A 4 -91,-0.8 -89,-2.6 27,-0.1 2,-0.5 -0.951 51.8-127.7-179.6 160.3 29.4 -6.0 57.1 95 96 A V E -bd 5 123A 0 27,-2.5 29,-2.0 -2,-0.3 2,-0.3 -0.988 29.4-165.3-123.6 119.4 31.9 -3.4 58.4 96 97 A Y E +bd 6 124A 23 -91,-3.5 -89,-3.6 -2,-0.5 2,-0.3 -0.759 16.5 152.7-105.8 153.1 32.4 -0.3 56.1 97 98 A W E -bd 7 125A 1 27,-1.9 29,-1.8 -2,-0.3 2,-0.4 -0.960 41.6-104.3-169.4 156.9 35.2 2.3 56.2 98 99 A N E - d 0 126A 11 -91,-0.5 29,-0.2 -2,-0.3 -88,-0.2 -0.779 46.7-102.7 -93.1 135.3 37.1 4.7 53.9 99 100 A Q - 0 0 31 27,-2.6 30,-0.3 -2,-0.4 29,-0.3 -0.085 27.7-138.0 -57.4 149.6 40.6 3.8 53.0 100 101 A D - 0 0 11 2,-0.1 -1,-0.1 5,-0.1 27,-0.0 -0.609 8.4-156.9-103.1 162.7 43.7 5.4 54.5 101 102 A I + 0 0 1 -2,-0.2 -1,-0.1 33,-0.0 -2,-0.0 0.462 67.2 95.3-114.5 -11.3 46.9 6.5 52.7 102 103 A E S > S- 0 0 19 1,-0.1 4,-2.7 198,-0.0 5,-0.3 -0.584 79.5-123.0 -87.4 144.8 49.2 6.3 55.7 103 104 A P H > S+ 0 0 39 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.902 109.8 46.3 -49.0 -52.5 51.4 3.2 56.6 104 105 A Y H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.952 114.3 46.2 -59.9 -51.9 49.9 2.7 60.1 105 106 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 114.3 48.6 -59.2 -39.5 46.2 3.0 58.9 106 107 A R H X S+ 0 0 80 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.876 112.3 46.7 -70.5 -38.2 46.8 0.7 56.0 107 108 A D H X S+ 0 0 115 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.938 114.4 48.1 -68.2 -45.0 48.5 -2.0 58.0 108 109 A R H X S+ 0 0 21 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.932 111.1 52.5 -57.9 -47.4 45.9 -1.8 60.7 109 110 A D H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.897 105.5 51.4 -57.8 -47.2 43.2 -2.0 58.0 110 111 A G H X S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.888 112.0 49.7 -58.8 -36.8 44.5 -5.1 56.3 111 112 A Q H X S+ 0 0 102 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.868 110.6 47.9 -70.5 -38.8 44.6 -6.7 59.8 112 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 112.2 50.0 -67.4 -44.4 41.0 -5.7 60.6 113 114 A A H X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.916 111.1 48.8 -59.1 -44.7 39.8 -7.0 57.2 114 115 A A H X S+ 0 0 49 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.910 111.2 49.7 -62.5 -43.1 41.5 -10.3 57.7 115 116 A A H X S+ 0 0 30 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.875 112.4 48.7 -63.7 -36.2 40.1 -10.7 61.2 116 117 A L H <>S+ 0 0 0 -4,-2.3 5,-3.5 2,-0.2 -2,-0.2 0.900 109.6 51.0 -70.0 -40.1 36.7 -9.9 59.8 117 118 A K H ><5S+ 0 0 169 -4,-2.6 3,-1.7 3,-0.2 -2,-0.2 0.915 107.9 53.1 -62.3 -44.0 37.1 -12.4 56.9 118 119 A T H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.904 108.9 49.2 -56.8 -43.6 38.1 -15.1 59.4 119 120 A A T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.443 121.3-113.9 -76.4 0.5 34.9 -14.4 61.3 120 121 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.816 72.0 135.9 71.6 30.4 33.0 -14.6 58.0 121 122 A I < - 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0 0 44 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.789 41.5-166.0-119.9 162.5 44.9 16.8 77.3 198 199 A D + 0 0 132 -2,-0.3 2,-0.3 -3,-0.1 -146,-0.1 -0.982 11.5 167.3-147.7 135.8 44.3 20.6 77.6 199 200 A W + 0 0 47 -2,-0.3 -7,-0.1 -150,-0.1 -2,-0.0 -0.961 14.3 157.2-151.4 131.4 43.9 23.1 74.8 200 201 A D + 0 0 161 -2,-0.3 -1,-0.1 142,-0.1 142,-0.0 0.155 50.5 100.8-139.8 16.0 42.8 26.7 75.0 201 202 A G S S- 0 0 27 1,-0.2 2,-0.0 140,-0.1 141,-0.0 0.436 77.6-129.8 -86.9 0.7 44.3 28.2 71.8 202 203 A G - 0 0 33 142,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.264 21.4 -93.7 82.8-173.8 41.3 28.2 69.6 203 204 A F - 0 0 49 1,-0.1 3,-0.2 -150,-0.0 141,-0.1 -0.966 16.8-119.3-144.8 157.9 40.9 26.8 66.0 204 205 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.776 111.1 6.3 -67.3 -24.8 41.2 28.0 62.4 205 206 A V S S- 0 0 4 37,-0.1 3,-0.1 -3,-0.0 7,-0.1 -0.938 98.6 -96.9-155.9 133.2 37.5 26.9 62.1 206 207 A E - 0 0 115 -2,-0.3 5,-0.0 -3,-0.2 -153,-0.0 -0.174 52.3 -90.7 -55.4 147.4 35.4 25.6 65.0 207 208 A P S S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.178 80.8 55.5 -58.0 147.9 35.1 21.8 65.4 208 209 A G S > S- 0 0 0 -155,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.013 84.6 -88.8 108.8 148.9 32.4 19.9 63.6 209 210 A E H > S+ 0 0 5 -152,-0.3 4,-2.5 -197,-0.2 5,-0.2 0.914 120.9 53.4 -55.4 -48.7 30.8 19.2 60.3 210 211 A T H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 109.7 45.4 -56.5 -50.0 28.4 22.1 60.6 211 212 A A H > S+ 0 0 27 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.840 112.9 52.9 -64.5 -33.8 31.1 24.7 61.2 212 213 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.925 108.9 47.6 -67.9 -45.8 33.2 23.3 58.4 213 214 A I H X S+ 0 0 40 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.858 111.7 51.9 -63.8 -35.6 30.3 23.5 55.9 214 215 A A H X S+ 0 0 33 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.879 110.6 47.7 -68.6 -39.7 29.6 27.1 56.9 215 216 A R H X S+ 0 0 73 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.916 109.4 52.5 -67.9 -44.4 33.3 28.1 56.5 216 217 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.955 113.6 44.8 -55.2 -49.2 33.5 26.5 53.1 217 218 A Q H X S+ 0 0 108 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.877 113.2 48.9 -63.8 -40.9 30.4 28.4 52.0 218 219 A E H X>S+ 0 0 127 -4,-2.3 4,-0.7 2,-0.2 5,-0.5 0.866 113.5 48.1 -67.5 -36.8 31.5 31.7 53.5 219 220 A F H ><>S+ 0 0 8 -4,-2.6 5,-2.9 1,-0.2 3,-0.8 0.930 113.5 45.0 -69.2 -47.7 35.0 31.4 51.8 220 221 A C H 3<5S+ 0 0 11 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.686 107.3 61.0 -71.8 -18.1 33.6 30.5 48.4 221 222 A D H 3<5S- 0 0 110 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.721 132.4 -23.3 -80.8 -20.9 31.0 33.3 48.6 222 223 A R T X<5S+ 0 0 193 -3,-0.8 3,-2.4 -4,-0.7 4,-0.4 0.330 123.8 56.3-148.2 -76.3 33.7 35.9 48.9 223 224 A A G > S+ 0 0 99 -3,-1.7 4,-1.8 -4,-0.4 -1,-0.3 0.291 78.4 117.4-109.3 7.4 40.9 37.2 46.2 227 228 A Y H <> + 0 0 15 -3,-1.5 4,-2.8 -4,-0.3 5,-0.2 0.861 61.3 82.5 -42.0 -46.6 42.8 34.0 47.1 228 229 A D H 4 S- 0 0 45 -4,-0.3 47,-0.2 1,-0.3 -1,-0.1 -0.937 111.7 -0.8-105.6 121.2 45.5 35.0 44.6 229 230 A P H >4 S+ 0 0 60 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.970 123.1 70.2 -97.9 7.7 47.4 37.0 45.7 230 231 A Q H >< S+ 0 0 64 -4,-1.8 3,-0.9 1,-0.3 8,-0.5 0.706 89.2 72.2 -55.5 -17.6 46.0 37.4 49.3 231 232 A R T 3< S+ 0 0 75 -4,-2.8 118,-0.3 -5,-0.3 -1,-0.3 0.759 88.0 62.9 -68.7 -24.0 47.1 33.8 49.9 232 233 A N T < S+ 0 0 28 -3,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.641 88.2 78.9 -77.3 -15.0 50.8 34.9 50.0 233 234 A F X - 0 0 64 -3,-0.9 3,-1.0 -4,-0.3 5,-0.4 -0.846 56.6-163.4-108.3 113.3 50.5 37.2 53.0 234 235 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 181,-0.1 0.810 93.5 59.5 -55.4 -34.1 50.5 35.9 56.6 235 236 A A T 3 S+ 0 0 11 179,-0.5 2,-0.3 2,-0.1 180,-0.1 0.843 97.4 73.2 -65.7 -33.1 49.1 39.2 57.9 236 237 A E S < S- 0 0 95 -3,-1.0 2,-1.5 -6,-0.2 3,-0.2 -0.595 81.2-135.4 -85.0 143.2 46.0 38.8 55.7 237 238 A A + 0 0 99 -2,-0.3 -6,-0.1 1,-0.2 -1,-0.1 -0.512 58.9 136.7 -92.1 65.1 43.3 36.2 56.5 238 239 A G + 0 0 6 -2,-1.5 -1,-0.2 -8,-0.5 -7,-0.2 0.435 43.1 75.8 -95.0 -0.7 43.3 35.2 52.8 239 240 A T S S- 0 0 37 -3,-0.2 -16,-0.1 -9,-0.1 -15,-0.0 -0.498 84.2-112.8-102.8 177.3 43.2 31.4 53.1 240 241 A S - 0 0 14 -2,-0.2 -21,-0.1 1,-0.0 -1,-0.1 0.849 26.4-143.2 -80.8 -35.1 40.2 29.1 54.0 241 242 A G + 0 0 9 -36,-0.0 4,-0.2 1,-0.0 -26,-0.0 0.614 64.5 122.8 80.0 11.2 41.3 27.8 57.4 242 243 A L >> + 0 0 1 1,-0.2 4,-2.0 2,-0.1 3,-0.8 0.487 31.2 107.8 -84.3 -3.5 39.7 24.4 56.4 243 244 A S H 3> S+ 0 0 38 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.864 82.4 42.4 -44.1 -51.7 42.9 22.4 56.9 244 245 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 6,-0.3 0.838 112.0 57.0 -68.3 -26.4 41.8 20.6 60.1 245 246 A A H <4>S+ 0 0 0 -3,-0.8 5,-1.9 -4,-0.2 6,-1.7 0.836 111.1 42.8 -69.5 -32.5 38.3 20.1 58.6 246 247 A L H <5S+ 0 0 20 -4,-2.0 -1,-0.2 -3,-0.3 -3,-0.2 0.840 112.3 52.7 -81.8 -35.0 39.9 18.3 55.6 247 248 A K H <5S+ 0 0 13 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.1 0.914 120.6 32.4 -66.3 -43.6 42.3 16.2 57.7 248 249 A F T <5S- 0 0 12 -4,-2.2 -236,-2.6 -5,-0.2 -1,-0.2 0.396 111.5-117.9 -95.3 2.9 39.5 14.9 60.0 249 250 A G T 5 + 0 0 2 -238,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.799 66.3 142.8 68.3 29.8 36.9 14.9 57.3 250 251 A A S - 0 0 0 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.638 15.8-130.9 -84.8 145.5 33.9 16.2 52.3 253 254 A I H > S+ 0 0 3 -125,-0.4 4,-1.9 -2,-0.3 -1,-0.1 0.792 108.0 52.1 -65.3 -28.3 36.5 16.7 49.5 254 255 A R H > S+ 0 0 4 -238,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.839 106.5 52.6 -77.4 -33.0 33.7 16.6 46.8 255 256 A Q H > S+ 0 0 31 2,-0.2 4,-2.6 -239,-0.2 5,-0.2 0.919 110.7 49.3 -65.8 -42.6 31.7 19.3 48.6 256 257 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.938 112.6 45.8 -61.5 -48.0 34.8 21.5 48.7 257 258 A W H X S+ 0 0 36 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.904 114.4 48.8 -63.4 -40.9 35.5 21.0 45.0 258 259 A Q H X S+ 0 0 103 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.912 108.7 51.6 -65.7 -45.0 31.9 21.6 44.0 259 260 A A H X S+ 0 0 23 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.879 114.7 44.0 -60.3 -38.3 31.5 24.8 46.1 260 261 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.872 113.2 50.7 -73.4 -39.4 34.6 26.2 44.4 261 262 A S H X S+ 0 0 50 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.863 110.6 49.5 -66.5 -36.5 33.5 25.0 41.0 262 263 A A H X S+ 0 0 59 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.805 109.5 51.8 -72.4 -30.4 30.1 26.7 41.5 263 264 A A H X S+ 0 0 15 -4,-1.2 4,-1.8 -5,-0.2 -2,-0.2 0.823 108.2 52.4 -73.8 -31.9 31.9 29.9 42.6 264 265 A H H < S+ 0 0 24 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.886 111.5 45.0 -69.8 -40.9 34.0 29.8 39.4 265 266 A A H < S+ 0 0 77 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.805 114.2 49.6 -72.5 -32.2 30.9 29.5 37.2 266 267 A L H < S+ 0 0 146 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.831 94.1 91.1 -75.5 -34.8 29.0 32.2 39.1 267 268 A S < - 0 0 12 -4,-1.8 3,-0.0 1,-0.1 -3,-0.0 -0.290 49.7-175.5 -63.4 145.6 32.0 34.6 38.9 268 269 A R + 0 0 198 5,-0.0 2,-0.4 -2,-0.0 -1,-0.1 0.333 57.2 94.2-121.6 0.0 32.1 37.0 35.9 269 270 A S > - 0 0 45 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.792 66.6-144.5 -98.0 136.6 35.5 38.5 36.8 270 271 A D H > S+ 0 0 137 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.936 101.7 50.2 -63.1 -48.4 38.7 37.2 35.3 271 272 A E H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 -43,-0.2 0.870 111.5 49.0 -58.8 -38.1 40.8 37.9 38.4 272 273 A A H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 108.7 54.0 -68.3 -39.4 38.2 36.1 40.5 273 274 A R H X S+ 0 0 88 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.951 110.4 46.6 -58.1 -51.0 38.2 33.2 38.1 274 275 A N H X S+ 0 0 79 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.936 108.8 54.4 -57.0 -50.5 42.0 32.9 38.4 275 276 A S H X S+ 0 0 1 -4,-2.3 4,-1.6 -50,-0.3 -1,-0.2 0.850 110.4 47.1 -53.3 -38.1 41.9 33.1 42.2 276 277 A I H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.855 109.3 52.3 -74.6 -34.5 39.4 30.2 42.3 277 278 A R H X S+ 0 0 105 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.853 109.0 52.7 -67.6 -34.8 41.4 28.0 39.9 278 279 A V H X S+ 0 0 21 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.898 108.3 48.6 -68.1 -40.8 44.4 28.6 42.2 279 280 A W H >X S+ 0 0 8 -4,-1.6 3,-1.2 1,-0.2 4,-1.1 0.941 109.6 53.5 -64.3 -44.8 42.5 27.5 45.3 280 281 A Q H 3X S+ 0 0 5 -4,-2.3 4,-1.0 1,-0.3 3,-0.4 0.858 104.2 55.3 -56.9 -37.3 41.4 24.4 43.4 281 282 A Q H 3X S+ 0 0 62 -4,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.740 96.8 64.6 -69.8 -21.2 45.0 23.6 42.5 282 283 A E H < + 0 0 47 -4,-3.1 3,-2.4 -5,-0.2 -1,-0.2 -0.611 65.5 170.0-125.3 71.0 56.1 5.5 48.3 297 298 A P G > S+ 0 0 68 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.739 70.7 74.4 -52.8 -27.4 55.5 4.8 52.0 298 299 A S G > S+ 0 0 59 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.684 76.0 81.5 -63.4 -13.8 59.2 5.0 52.8 299 300 A L G X S+ 0 0 6 -3,-2.4 3,-1.4 1,-0.3 -1,-0.3 0.874 82.2 62.9 -57.0 -35.7 58.9 8.7 52.4 300 301 A A G < S+ 0 0 26 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.717 90.6 67.8 -62.3 -21.7 57.5 8.8 56.0 301 302 A D G < S- 0 0 114 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.732 113.5 -98.7 -72.7 -23.0 60.9 7.5 57.2 302 303 A G S < S+ 0 0 3 -3,-1.4 -1,-0.2 -4,-0.5 7,-0.1 -0.936 84.6 26.9 138.4-161.6 62.7 10.7 56.4 303 304 A P - 0 0 12 0, 0.0 93,-0.2 0, 0.0 87,-0.0 -0.018 58.2-166.1 -36.2 123.0 65.0 12.1 53.5 304 305 A Y + 0 0 71 91,-1.6 92,-0.2 4,-0.1 5,-0.1 0.951 59.5 77.2 -83.0 -57.0 64.0 10.2 50.4 305 306 A R S > S- 0 0 115 90,-2.8 4,-1.2 1,-0.1 3,-0.3 -0.253 84.1-121.8 -59.4 142.5 66.7 10.9 47.9 306 307 A S H > S+ 0 0 84 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.860 108.7 55.9 -52.9 -45.0 70.0 9.0 48.4 307 308 A L H >4 S+ 0 0 27 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.924 109.0 47.5 -56.5 -46.5 72.2 12.1 48.7 308 309 A W H 34 S+ 0 0 9 -3,-0.3 3,-0.2 1,-0.3 -1,-0.2 0.706 97.6 66.8 -71.1 -22.2 70.0 13.4 51.6 309 310 A Q H 3< S+ 0 0 134 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.687 110.7 40.7 -70.3 -14.8 69.9 10.2 53.6 310 311 A Q S << S+ 0 0 109 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.511 82.0 132.5-107.4 -12.1 73.7 10.9 54.0 311 312 A F - 0 0 9 -4,-0.5 2,-1.7 -3,-0.2 156,-0.1 -0.125 62.7-122.4 -46.4 133.8 73.6 14.6 54.6 312 313 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.566 31.3-164.1 -83.3 78.1 75.8 15.5 57.6 313 314 A W - 0 0 31 -2,-1.7 51,-0.2 1,-0.1 50,-0.1 -0.420 13.4-149.2 -63.6 133.7 73.2 17.3 59.8 314 315 A E - 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0 0 27 1,-0.2 4,-2.4 121,-0.1 3,-1.2 -0.895 59.8-152.7-104.9 102.7 64.7 36.2 63.7 331 332 A P H 3> S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.856 91.6 50.5 -39.5 -57.9 61.4 38.1 64.0 332 333 A I H 3> S+ 0 0 5 104,-0.5 4,-0.9 1,-0.2 22,-0.1 0.819 115.4 45.6 -56.8 -31.2 59.6 36.5 61.0 333 334 A V H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.918 114.5 44.6 -78.0 -46.7 60.6 33.0 62.4 334 335 A D H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.836 110.2 55.1 -68.6 -33.7 59.6 33.6 66.1 335 336 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.889 111.6 46.1 -64.9 -38.4 56.3 35.3 65.2 336 337 A A H X S+ 0 0 0 -4,-0.9 4,-2.0 -5,-0.3 -2,-0.2 0.928 111.2 49.1 -70.8 -46.6 55.4 32.1 63.2 337 338 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.805 110.8 52.9 -64.2 -28.1 56.5 29.6 65.8 338 339 A R H X S+ 0 0 48 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.903 106.1 52.2 -72.9 -40.9 54.5 31.6 68.4 339 340 A Q H X S+ 0 0 16 -4,-1.7 4,-2.6 2,-0.2 6,-0.7 0.900 111.7 48.9 -60.2 -40.2 51.4 31.4 66.2 340 341 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.972 114.9 39.6 -64.5 -57.5 51.9 27.6 66.0 341 342 A T H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.789 122.7 44.2 -66.7 -24.6 52.3 26.9 69.7 342 343 A E H < S+ 0 0 93 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.845 131.5 15.7 -88.8 -35.7 49.6 29.4 70.6 343 344 A T H < S- 0 0 33 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.468 92.7-122.2-118.3 -4.4 46.9 28.6 68.1 344 345 A G S < S+ 0 0 0 -4,-2.5 34,-3.5 -5,-0.4 35,-0.5 0.649 84.2 81.0 72.6 15.5 47.8 25.2 66.6 345 346 A W - 0 0 40 -6,-0.7 2,-0.3 32,-0.2 -2,-0.3 -0.977 55.5-164.9-148.2 155.3 48.0 26.6 63.1 346 347 A M - 0 0 0 -2,-0.3 5,-0.1 -3,-0.1 -10,-0.1 -0.987 32.7-105.1-146.7 134.6 50.5 28.5 61.0 347 348 A H >> - 0 0 4 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.304 34.6-120.3 -56.7 138.5 50.1 30.3 57.7 348 349 A N H 3> S+ 0 0 81 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.863 112.3 55.0 -50.7 -45.1 51.6 28.3 54.8 349 350 A R H 3> S+ 0 0 37 -118,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.895 110.6 48.0 -57.5 -38.9 54.1 31.0 53.8 350 351 A C H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.860 105.3 57.0 -70.7 -34.9 55.3 30.9 57.4 351 352 A R H X S+ 0 0 44 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.913 109.0 48.4 -61.8 -38.2 55.5 27.1 57.4 352 353 A M H X S+ 0 0 35 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.916 112.5 47.7 -66.4 -43.9 57.9 27.4 54.4 353 354 A I H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.944 115.3 42.5 -63.6 -50.8 60.0 30.1 56.1 354 355 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.810 114.6 51.4 -68.3 -30.4 60.5 28.4 59.4 355 356 A A H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.3 5,-0.2 0.921 112.1 46.2 -70.7 -45.0 61.1 24.9 57.8 356 357 A S H X>S+ 0 0 1 -4,-2.2 4,-3.7 -5,-0.2 5,-0.7 0.928 112.4 52.1 -61.9 -44.4 63.7 26.4 55.5 357 358 A F H X>S+ 0 0 2 -4,-2.5 5,-2.4 1,-0.2 4,-1.5 0.947 110.3 47.0 -57.2 -52.1 65.3 28.2 58.5 358 359 A L H <5S+ 0 0 0 -4,-2.3 6,-2.2 3,-0.2 -1,-0.2 0.891 122.6 35.1 -58.5 -41.2 65.5 25.0 60.6 359 360 A T H <5S+ 0 0 0 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.920 129.8 28.6 -81.8 -45.9 67.0 23.0 57.8 360 361 A K H <5S+ 0 0 15 -4,-3.7 103,-0.2 -5,-0.2 -3,-0.2 0.881 131.9 28.9 -84.7 -43.7 69.2 25.5 56.0 361 362 A D T <> - 0 0 20 -2,-0.4 3,-2.2 1,-0.2 4,-0.5 -0.265 39.6-133.5 -43.9 117.8 67.7 17.0 60.6 366 367 A W H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.673 97.7 78.8 -58.3 -14.3 64.3 18.2 59.4 367 368 A R H 3> S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.824 86.8 58.7 -62.5 -29.7 62.7 15.2 61.0 368 369 A R H <> S+ 0 0 71 -3,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.869 110.4 43.2 -66.1 -34.1 63.0 17.0 64.3 369 370 A G H X S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.5 5,-0.2 0.894 109.1 55.1 -76.9 -42.3 60.9 19.8 62.8 370 371 A E H X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 112.5 45.9 -56.0 -41.4 58.4 17.4 61.1 371 372 A Q H X S+ 0 0 70 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.882 109.7 52.4 -70.4 -39.8 57.8 15.9 64.5 372 373 A F H < S+ 0 0 19 -4,-1.7 4,-0.2 2,-0.2 -2,-0.2 0.880 110.4 49.1 -65.1 -36.3 57.5 19.3 66.3 373 374 A F H >X S+ 0 0 6 -4,-2.6 4,-3.3 1,-0.2 3,-1.5 0.920 110.6 50.0 -66.9 -44.8 54.9 20.3 63.7 374 375 A M H 3< S+ 0 0 27 -4,-2.0 -327,-0.3 1,-0.3 -2,-0.2 0.823 107.1 56.4 -62.7 -30.4 53.0 17.1 64.2 375 376 A Q T 3< S+ 0 0 53 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.527 123.8 21.9 -79.6 -3.7 53.1 17.7 68.0 376 377 A H T <4 S+ 0 0 51 -3,-1.5 2,-0.3 -4,-0.2 -2,-0.2 0.612 91.6 103.4-135.6 -21.9 51.4 21.1 67.6 377 378 A L >< - 0 0 1 -4,-3.3 3,-1.4 1,-0.2 -330,-0.2 -0.528 52.3-153.2 -75.5 128.8 49.4 21.4 64.3 378 379 A V T 3 S+ 0 0 0 -34,-3.5 -1,-0.2 -2,-0.3 -33,-0.1 0.729 106.3 40.7 -69.5 -18.2 45.6 21.1 64.5 379 380 A D T 3 S+ 0 0 13 -35,-0.5 -1,-0.3 -132,-0.1 -5,-0.1 0.206 81.9 162.7-111.4 13.0 45.9 19.9 60.9 380 381 A G < + 0 0 0 -3,-1.4 2,-0.4 -7,-0.2 -333,-0.1 -0.081 12.8 173.9 -38.5 111.6 49.0 17.7 61.5 381 382 A D > - 0 0 20 1,-0.1 4,-4.2 2,-0.0 5,-0.4 -0.975 31.8-146.4-135.1 118.6 48.9 15.5 58.4 382 383 A L H > S+ 0 0 39 -2,-0.4 4,-3.1 1,-0.2 5,-0.5 0.894 98.5 47.3 -47.1 -55.9 51.7 13.0 57.5 383 384 A A H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 122.6 34.4 -55.4 -49.8 51.4 13.3 53.8 384 385 A A H > S+ 0 0 48 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.896 121.0 47.1 -74.6 -42.7 51.3 17.1 53.8 385 386 A N H X S+ 0 0 12 -4,-4.2 4,-2.2 2,-0.2 -3,-0.2 0.941 116.8 43.4 -65.8 -46.6 53.7 17.6 56.7 386 387 A N H X S+ 0 0 5 -4,-3.1 4,-2.6 -5,-0.4 5,-0.3 0.879 114.8 51.6 -65.9 -35.8 56.2 15.2 55.4 387 388 A G H X S+ 0 0 7 -4,-1.5 4,-1.5 -5,-0.5 -2,-0.2 0.907 109.0 51.2 -66.2 -39.5 55.7 16.7 52.0 388 389 A G H X S+ 0 0 28 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.888 115.1 40.7 -64.9 -40.3 56.3 20.1 53.4 389 390 A W H < S+ 0 0 2 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.846 109.7 55.2 -79.4 -35.5 59.6 19.2 55.1 390 391 A Q H >X>S+ 0 0 6 -4,-2.6 5,-2.2 1,-0.2 3,-1.3 0.889 107.3 57.2 -61.7 -33.8 61.0 17.0 52.3 391 392 A W H ><5S+ 0 0 82 -4,-1.5 3,-0.8 -5,-0.3 -1,-0.2 0.862 91.5 67.0 -61.9 -39.9 60.4 20.2 50.4 392 393 A S T 3<5S+ 0 0 0 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.523 120.7 20.9 -62.7 -3.3 62.6 22.3 52.7 393 394 A A T <45S- 0 0 2 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.307 100.2-120.2-144.6 5.7 65.5 20.2 51.4 394 395 A S T <<5S+ 0 0 24 -3,-0.8 -3,-0.2 -4,-0.6 -86,-0.1 0.874 71.4 136.3 50.1 37.7 64.4 18.8 48.1 395 396 A S < + 0 0 0 -5,-2.2 -90,-2.8 -6,-0.2 -91,-1.6 0.401 64.5 22.0 -94.4 1.4 65.0 15.5 49.7 396 397 A G S S+ 0 0 2 -6,-0.5 -9,-0.1 1,-0.4 -88,-0.0 0.017 107.5 0.7-130.6-123.7 61.8 13.9 48.5 397 398 A M S S+ 0 0 21 1,-0.2 -1,-0.4 -2,-0.1 -250,-0.2 -0.271 116.8 11.1 -72.9 160.4 59.2 14.3 45.7 398 399 A D S S- 0 0 35 -252,-3.3 -1,-0.2 1,-0.1 -251,-0.1 0.843 86.1-157.6 36.1 61.2 59.4 17.0 43.0 399 400 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 -0.274 10.1-163.8 -68.0 151.1 63.0 18.1 43.8 400 401 A K - 0 0 124 -9,-0.1 3,-0.1 1,-0.1 0, 0.0 -0.911 36.0 -73.9-131.8 158.2 64.3 21.5 42.8 401 402 A P - 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.123 69.0 -79.3 -51.0 146.9 67.8 23.0 42.6 402 403 A L + 0 0 60 -8,-0.1 2,-0.3 -3,-0.0 -9,-0.0 -0.182 64.1 165.5 -49.7 136.1 69.5 23.7 45.9 403 404 A R - 0 0 144 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.990 25.5-152.6-154.7 150.5 68.2 26.9 47.4 404 405 A I - 0 0 18 -2,-0.3 2,-0.1 -44,-0.0 -47,-0.1 -0.979 18.3-132.1-133.9 122.8 68.3 28.7 50.8 405 406 A F - 0 0 13 -2,-0.4 3,-0.1 -52,-0.1 -2,-0.0 -0.355 8.7-145.0 -68.8 147.3 65.8 31.2 52.1 406 407 A N >> - 0 0 56 1,-0.1 4,-2.0 -2,-0.1 3,-1.3 -0.944 9.4-147.9-113.7 104.7 66.9 34.5 53.6 407 408 A P H 3> S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.825 97.7 56.0 -39.0 -41.3 64.4 35.2 56.4 408 409 A A H 3> S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.883 107.0 46.5 -62.7 -42.7 65.0 38.9 55.7 409 410 A S H <> S+ 0 0 64 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.924 115.3 46.7 -66.0 -45.5 64.0 38.7 52.0 410 411 A Q H X S+ 0 0 4 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.924 112.1 50.2 -61.6 -47.9 60.9 36.6 52.8 411 412 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.3 7,-0.3 0.929 113.7 45.1 -57.6 -48.0 59.9 38.9 55.6 412 413 A K H < S+ 0 0 141 -4,-2.2 4,-0.3 25,-0.2 -1,-0.2 0.879 117.1 45.8 -64.1 -39.3 60.2 42.0 53.3 413 414 A K H < S+ 0 0 120 -4,-2.4 -2,-0.2 -5,-0.2 3,-0.2 0.880 127.3 23.4 -74.1 -39.1 58.4 40.3 50.5 414 415 A F H < S+ 0 0 24 -4,-3.1 -179,-0.5 -5,-0.2 -2,-0.2 0.426 136.4 28.5-110.9 0.7 55.5 38.8 52.3 415 416 A D >< + 0 0 6 -4,-1.9 3,-3.2 -5,-0.3 6,-0.2 -0.214 69.9 160.2-152.1 44.9 55.2 41.0 55.4 416 417 A A T 3 S+ 0 0 62 -4,-0.3 21,-0.1 1,-0.3 -4,-0.1 0.705 79.9 41.0 -43.7 -32.1 56.6 44.2 54.0 417 418 A T T 3 S- 0 0 93 -6,-0.1 -1,-0.3 -3,-0.0 -5,-0.1 0.380 107.0-125.2-101.3 2.7 54.9 46.2 56.8 418 419 A A <> + 0 0 0 -3,-3.2 4,-2.2 -7,-0.3 5,-0.2 0.764 64.6 139.9 59.4 28.9 55.8 43.7 59.5 419 420 A T H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.933 71.5 45.5 -67.0 -46.4 52.1 43.5 60.5 420 421 A Y H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 112.8 52.4 -64.6 -38.1 52.1 39.8 61.1 421 422 A I H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.932 111.6 43.6 -65.1 -47.0 55.4 40.0 63.0 422 423 A K H < S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.824 109.0 61.3 -67.8 -30.3 54.1 42.7 65.4 423 424 A R H < S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.908 116.8 28.1 -62.5 -43.1 50.9 40.7 65.8 424 425 A W H < S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.544 126.2 47.0 -97.2 -8.7 52.6 37.7 67.2 425 426 A L >< + 0 0 0 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.2 -0.591 65.1 162.3-128.8 65.7 55.5 39.5 68.8 426 427 A P G > + 0 0 80 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.720 68.0 71.1 -59.3 -23.4 53.7 42.3 70.6 427 428 A E G 3 S+ 0 0 78 1,-0.3 22,-0.2 2,-0.1 21,-0.1 0.503 101.3 47.6 -72.9 -2.0 56.7 43.0 72.8 428 429 A L G X S+ 0 0 0 -3,-1.9 3,-1.0 -6,-0.2 -1,-0.3 0.101 73.5 112.4-122.4 18.6 58.3 44.4 69.6 429 430 A R T < S+ 0 0 179 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.733 75.2 58.8 -65.1 -21.5 55.4 46.6 68.5 430 431 A H T 3 S+ 0 0 69 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.726 87.2 94.0 -79.6 -24.5 57.6 49.6 69.2 431 432 A V S < S- 0 0 0 -3,-1.0 -3,-0.1 1,-0.1 10,-0.0 -0.309 86.7-101.2 -69.2 152.7 60.4 48.6 66.8 432 433 A H >> - 0 0 118 1,-0.1 4,-2.0 -2,-0.0 3,-1.1 -0.541 22.7-125.6 -76.2 138.9 60.4 49.8 63.2 433 434 A P H 3> S+ 0 0 43 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.867 111.1 62.8 -49.1 -38.6 59.2 47.4 60.5 434 435 A K H 3> S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 6,-0.2 0.878 107.3 40.8 -54.6 -43.9 62.5 48.0 58.8 435 436 A D H <>>S+ 0 0 33 -3,-1.1 4,-1.7 2,-0.2 5,-0.5 0.821 112.7 53.4 -77.8 -32.5 64.4 46.5 61.7 436 437 A L H <5S+ 0 0 1 -4,-2.0 -104,-0.5 2,-0.2 -2,-0.2 0.852 112.8 46.4 -69.2 -33.6 62.0 43.6 62.3 437 438 A I H <5S+ 0 0 20 -4,-2.4 -25,-0.2 -5,-0.2 -26,-0.2 0.901 116.5 41.5 -74.8 -44.3 62.3 42.7 58.7 438 439 A S H <5S- 0 0 32 -4,-1.8 -2,-0.2 -5,-0.2 -30,-0.2 0.750 102.9-132.4 -75.3 -24.8 66.1 42.9 58.5 439 440 A G T <5 + 0 0 12 -4,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.534 67.5 126.2 84.4 5.8 66.4 41.2 61.9 440 441 A E < + 0 0 138 -5,-0.5 2,-0.5 -6,-0.2 -1,-0.2 -0.809 33.2 169.3-101.8 94.7 68.8 43.8 63.0 441 442 A I - 0 0 15 -2,-0.9 5,-0.1 -3,-0.1 -10,-0.0 -0.921 36.3-116.9-111.9 128.7 67.4 45.2 66.3 442 443 A T >> - 0 0 64 -2,-0.5 4,-0.7 1,-0.1 3,-0.6 -0.390 27.3-119.7 -63.5 133.1 69.4 47.5 68.6 443 444 A P H >> S+ 0 0 95 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.804 111.9 46.6 -39.7 -47.9 69.9 45.9 72.1 444 445 A I H >4 S+ 0 0 138 1,-0.2 3,-0.5 2,-0.2 -2,-0.0 0.898 114.7 46.1 -67.3 -40.7 68.1 48.6 74.0 445 446 A E H <4 S+ 0 0 45 -3,-0.6 -1,-0.2 1,-0.2 -14,-0.1 0.407 108.2 60.6 -82.4 2.3 65.1 48.6 71.6 446 447 A R H X< S+ 0 0 54 -3,-0.7 3,-2.5 -4,-0.7 -1,-0.2 0.652 76.4 176.5-101.5 -21.2 65.1 44.8 71.8 447 448 A R T << S- 0 0 161 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 -0.288 72.7 -11.3 53.2-122.6 64.4 44.5 75.5 448 449 A G T 3 S+ 0 0 71 -21,-0.1 -1,-0.3 -2,-0.1 -2,-0.0 0.529 104.7 116.1 -85.1 -6.3 64.1 40.9 76.4 449 450 A Y S < S- 0 0 8 -3,-2.5 -122,-0.1 -22,-0.2 -3,-0.0 -0.486 70.9-117.5 -66.4 122.5 63.9 39.7 72.8 450 451 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.101 21.4-111.7 -60.5 157.5 66.9 37.5 72.1 451 452 A A - 0 0 43 1,-0.2 -121,-0.1 -124,-0.1 -11,-0.1 -0.509 56.4 -67.2 -84.6 157.5 69.6 38.3 69.6 452 453 A P - 0 0 60 0, 0.0 -123,-0.3 0, 0.0 -1,-0.2 -0.193 40.8-147.4 -47.0 125.9 70.0 36.1 66.4 453 454 A I S S+ 0 0 50 -125,-2.8 2,-0.3 -3,-0.1 -124,-0.1 0.636 81.0 24.4 -73.7 -13.5 71.1 32.6 67.5 454 455 A V S S- 0 0 13 -126,-0.4 2,-0.9 -135,-0.0 3,-0.1 -0.969 80.8-115.1-146.0 158.7 73.0 32.2 64.3 455 456 A N >> - 0 0 89 -2,-0.3 4,-2.5 1,-0.2 3,-0.6 -0.875 27.1-150.3 -98.1 104.7 74.7 34.5 61.7 456 457 A H H 3> S+ 0 0 22 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.862 92.6 52.6 -40.7 -53.4 72.6 33.8 58.5 457 458 A N H 3> S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 113.2 43.2 -54.1 -47.5 75.5 34.4 56.2 458 459 A L H <> S+ 0 0 107 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.883 114.1 50.5 -67.6 -38.4 77.9 32.0 58.0 459 460 A R H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.885 109.7 52.2 -66.2 -37.2 75.1 29.4 58.3 460 461 A Q H X S+ 0 0 35 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.885 110.3 46.5 -66.1 -40.1 74.4 29.7 54.6 461 462 A K H X S+ 0 0 125 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.870 112.0 52.8 -69.6 -36.5 78.1 29.2 53.7 462 463 A Q H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.923 108.9 48.1 -64.8 -46.3 78.3 26.2 56.0 463 464 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 -103,-0.2 -2,-0.2 0.934 113.5 46.1 -61.9 -48.0 75.2 24.4 54.5 464 465 A K H X S+ 0 0 89 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.909 110.8 54.4 -61.4 -42.2 76.4 24.9 50.9 465 466 A A H X S+ 0 0 42 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.916 110.1 45.7 -58.2 -44.7 79.9 23.7 51.9 466 467 A L H X S+ 0 0 40 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.870 114.0 50.6 -66.7 -35.9 78.5 20.5 53.5 467 468 A Y H X S+ 0 0 38 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.958 112.6 43.8 -65.9 -53.1 76.3 20.0 50.4 468 469 A N H X S+ 0 0 88 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.834 112.9 52.9 -62.7 -35.3 79.1 20.4 47.8 469 470 A Q H X S+ 0 0 133 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.921 115.3 39.1 -67.7 -44.0 81.5 18.3 49.9 470 471 A L H < S+ 0 0 25 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.871 112.1 59.1 -72.0 -36.4 79.0 15.4 50.1 471 472 A K H >< S+ 0 0 119 -4,-2.9 3,-0.7 -5,-0.2 -2,-0.2 0.927 113.4 38.1 -56.0 -46.5 78.0 16.1 46.5 472 473 A A H 3< S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 105.7 65.2 -72.9 -41.8 81.6 15.5 45.4 473 474 A A T 3< 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.532 360.0 360.0 -60.9 -4.6 82.3 12.6 47.8 474 475 A I < 0 0 116 -3,-0.7 -167,-0.0 -4,-0.5 0, 0.0 -0.752 360.0 360.0-112.5 360.0 79.7 10.7 45.8